SCHEMBL7732072

SCHEMBL7732072

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4ccccc4C)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7720753 0.96 KCNH2 (0.53) KCNH2
SCHEMBL7724673 0.93 KCNH2 (0.57) KCNH2
SCHEMBL7731378 0.92 KCNH2 (0.57) KCNH2
SCHEMBL6606233 0.92 KCNH2 (0.57) KCNH2
Hydrochloric Acid SCHEMBL7726267 0.91 KCNH2 (0.56) KCNH2
SCHEMBL7720856 0.91 KCNH2 (0.48) KCNH2
SCHEMBL6606611 0.91 KCNH2 (0.60) KCNH2
SCHEMBL7732003 0.91 KCNH2 (0.47) KCNH2
SCHEMBL7732004 0.91 KCNH2 (0.47) KCNH2
SCHEMBL7729002 0.90 KCNH2 (0.55) KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed